2FUD

Human Cathepsin S with Inhibitor CRA-27566

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	cathepsin S	polymer	225	25006.0	2	UniProt (P25774) Pfam (PF00112) In PDB	Homo sapiens (human)
2	A, B	N-{(1R)-2-[(4-CYANO-1,1-DIOXIDOTETRAHYDRO-2H-THIOPYRAN-4-YL)AMINO]-2-OXO-1-[(TRIMETHYLSILYL)METHYL]ETHYL}MORPHOLINE-4-CARBOXAMIDE	non-polymer		430.6	2	Chemie (CRL)
3		water	water		18.0	311	Chemie (HOH)

Sequence modifications

A, B: 1 - 218 (UniProt: P25774)

PDB	External Database	Details
Gly 219	-	EXPRESSION TAG
His 220	-	EXPRESSION TAG
His 221	-	EXPRESSION TAG
His 222	-	EXPRESSION TAG
His 223	-	EXPRESSION TAG
His 224	-	EXPRESSION TAG
His 225	-	EXPRESSION TAG

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	50012.1
Non-Polymers*	Number of molecules	2
	Total formula weight	861.2
All*	Total formula weight	50873.2

*Water molecules are not included.